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BDBM50050489 CHEMBL61448::[6-Isothiocyanato-1-(2-morpholin-4-yl-ethyl)-1H-indol-3-yl]-naphthalen-1-yl-methanone

SMILES: O=C(c1cn(CCN2CCOCC2)c2cc(ccc12)N=C=S)c1cccc2ccccc12

InChI Key: InChIKey=LBSVQGQJTYJQKW-UHFFFAOYSA-N

Data: 1 IC50  1 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50050489   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Adenylate cyclase type V


(Rattus norvegicus)
BDBM50050489
PNG
(CHEMBL61448 | [6-Isothiocyanato-1-(2-morpholin-4-y...)
Show SMILES O=C(c1cn(CCN2CCOCC2)c2cc(ccc12)N=C=S)c1cccc2ccccc12
Show InChI InChI=1S/C26H23N3O2S/c30-26(23-7-3-5-19-4-1-2-6-21(19)23)24-17-29(11-10-28-12-14-31-15-13-28)25-16-20(27-18-32)8-9-22(24)25/h1-9,16-17H,10-15H2
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.10E+3n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of hormone stimulated Adenylate cyclase activity in N18TG2 membranes.


J Med Chem 39: 1967-74 (1996)


Article DOI: 10.1021/jm950932r
BindingDB Entry DOI: 10.7270/Q27M071B
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50050489
PNG
(CHEMBL61448 | [6-Isothiocyanato-1-(2-morpholin-4-y...)
Show SMILES O=C(c1cn(CCN2CCOCC2)c2cc(ccc12)N=C=S)c1cccc2ccccc12
Show InChI InChI=1S/C26H23N3O2S/c30-26(23-7-3-5-19-4-1-2-6-21(19)23)24-17-29(11-10-28-12-14-31-15-13-28)25-16-20(27-18-32)8-9-22(24)25/h1-9,16-17H,10-15H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 160n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity against brain cannabinoid receptor 1 using [3H]-CP-55,940 as radioligand at 0.25 nM concentration


J Med Chem 39: 1967-74 (1996)


Article DOI: 10.1021/jm950932r
BindingDB Entry DOI: 10.7270/Q27M071B
More data for this
Ligand-Target Pair